2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide

C15H13N3O — CID 110701067

IUPAC2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccccc3)cccc2[nH]1
InChIInChI=1S/C15H13N3O/c1-10-16-13-9-5-8-12(14(13)17-10)15(19)18-11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyZGIKHEFROWOISF-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide

2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide (PubChem CID 110701067) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
PubChem CID110701067
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccccc3)cccc2[nH]1
InChIInChI=1S/C15H13N3O/c1-10-16-13-9-5-8-12(14(13)17-10)15(19)18-11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyZGIKHEFROWOISF-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701119
methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701118
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 110701097
2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide
CID 174567423
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701135
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
methyl 4-chloro-3-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701109
2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701230
N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide
CID 91761518
4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide
CID 68974180
butanedioic acid;2,4-dimethyl-1H-benzimidazole
CID 159349051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide (CID 110701067) is 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide is Cc1nc2c(C(=O)Nc3ccccc3)cccc2[nH]1.
What is the InChIKey of 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide?
The InChIKey is ZGIKHEFROWOISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-16-13-9-5-8-12(14(13)17-10)15(19)18-11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide?
2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110701067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).